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arXiv 2302.07554cond-mat.mtrl-sci
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拓扑半金属Nb $_3$ SiTe $_6$的各向异性面内光导中van Hove奇点的特征

Signatures of van Hove singularities in the anisotropic in-plane optical conductivity of the topological semimetal Nb$_3$SiTe$_6$

J. Ebad-Allah, A. A. Tsirlin, Y. L. Zhu, Z. Q. Mao, C. A. Kuntscher

摘要:

我们提出了一个随温度变化的红外光谱研究层状拓扑半金属铌$_3$的SiTe $_6$结合密度泛函理论(DFT)计算的电子能带结构和光学电导率。我们的研究结果揭示了平面内($ac$平面)的光学电导率的各向异性行为,与三个明显的激发位于约0.15,0.28,和0.41 eV的入射辐射沿$c$轴的偏振。这些激发很好地再现在理论光谱。基于\textit{ab initio}的结果,在0.15 eV和0.28 eV附近的激发被解释为电子能带结构中的范霍夫奇异性的指纹,并与其他拓扑半金属的结果进行比较。

英文摘要:

We present a temperature-dependent infrared spectroscopy study on the layered topological semimetal Nb$_3$SiTe$_6$ combined with density-functional theory (DFT) calculations of the electronic band structure and optical conductivity. Our results reveal an anisotropic behavior of the in-plane ($ac$-plane) optical conductivity, with three pronounced excitations located at around 0.15, 0.28, and 0.41~eV for the polarization of the incident radiation along the $c$ axis. These excitations are well reproduced in the theoretical spectra. Based on the \textit{ab initio} results, the excitations around 0.15 eV and 0.28 eV are interpreted as fingerprints of van Hove singularities in the electronic band structure and compared to the findings for other topological semimetals.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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